tP5-BaTiO3 (Inverse)

tP5–BaTiO₃ (Inverse)

Image of tP5–BaTiO₃ (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 1.00839283~\hat{z}\\\end{split}\]

Space Group: 99

Point Group of Structure: \(4mm\)

Structure DOI: https://doi.org/10.1016/0025-5408(81)90113-6

Source: Crystallographic Open Database #1525437

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

Gap Atlas for \(\varepsilon\) = 16 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 14\)

Gap Atlas for \(\varepsilon\) = 14 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 17-18

Below is the band structure and isosurface of tP5–BaTiO₃ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.4\) and filling fraction \(\phi = 0.043\).

Band Structure across first Brillouin Zone.

View along \(a_1\).